N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

C22H24FN7OS — CID 118684962

IUPACN-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3CCF)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H24FN7OS/c1-14-11-29(13-24-14)19-8-7-17(25-21(19)31-2)18-12-32-22(26-18)27-20-15-5-3-4-6-16(15)28-30(20)10-9-23/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,26,27)
InChIKeyJEIIPIFVEMKMLA-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.50
Rot. Bonds7

About N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 118684962) has the molecular formula C22H24FN7OS and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID118684962
Molecular FormulaC22H24FN7OS
Molecular Weight453.55 g/mol
Exact Mass453.17
IUPAC NameN-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3CCF)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H24FN7OS/c1-14-11-29(13-24-14)19-8-7-17(25-21(19)31-2)18-12-32-22(26-18)27-20-15-5-3-4-6-16(15)28-30(20)10-9-23/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,26,27)
InChIKeyJEIIPIFVEMKMLA-UHFFFAOYSA-N
XLogP4.50
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 118684962) is N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is COc1nc(-c2csc(Nc3c4c(nn3CCF)CCCC4)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is JEIIPIFVEMKMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7OS/c1-14-11-29(13-24-14)19-8-7-17(25-21(19)31-2)18-12-32-22(26-18)27-20-15-5-3-4-6-16(15)28-30(20)10-9-23/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,26,27).
What are the key properties of N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 453.55 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoroethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118684962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).